N-[[(2R)-butan-2-yl]carbamoyl]-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide

C17H24FN3O2 — CID 8978259

IUPACN-[[(2R)-butan-2-yl]carbamoyl]-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
SMILESCC[C@@H](C)NC(=O)NC(=O)CN(Cc1ccccc1F)C1CC1
InChIInChI=1S/C17H24FN3O2/c1-3-12(2)19-17(23)20-16(22)11-21(14-8-9-14)10-13-6-4-5-7-15(13)18/h4-7,12,14H,3,8-11H2,1-2H3,(H2,19,20,22,23)/t12-/m1/s1
InChIKeyXDBAPPDVKYSIIY-GFCCVEGCSA-N
MW321.40 g/mol
LogP2.41
Rot. Bonds7

About N-[[(2R)-butan-2-yl]carbamoyl]-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide

N-[[(2R)-butan-2-yl]carbamoyl]-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide (PubChem CID 8978259) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[[(2R)-butan-2-yl]carbamoyl]-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[[(2R)-butan-2-yl]carbamoyl]-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
PubChem CID8978259
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC NameN-[[(2R)-butan-2-yl]carbamoyl]-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
SMILESCC[C@@H](C)NC(=O)NC(=O)CN(Cc1ccccc1F)C1CC1
InChIInChI=1S/C17H24FN3O2/c1-3-12(2)19-17(23)20-16(22)11-21(14-8-9-14)10-13-6-4-5-7-15(13)18/h4-7,12,14H,3,8-11H2,1-2H3,(H2,19,20,22,23)/t12-/m1/s1
InChIKeyXDBAPPDVKYSIIY-GFCCVEGCSA-N
XLogP2.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 26010059
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(1-phenylethyl)acetamide
CID 18088884
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium
CID 8978261
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide
CID 8977684
N-cyclooctyl-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 27106314
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8977816
ethyl 4-[[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetyl]amino]piperidine-1-carboxylate
CID 8991821
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 27106162
N-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide
CID 94102090
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
CID 26651079
2-[(2-aminophenyl)methyl-cyclopropylamino]-N-pentan-2-ylacetamide
CID 61489764
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 8977734

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-butan-2-yl]carbamoyl]-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide?
The IUPAC name of N-[[(2R)-butan-2-yl]carbamoyl]-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide (CID 8978259) is N-[[(2R)-butan-2-yl]carbamoyl]-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide.
What is the SMILES notation for N-[[(2R)-butan-2-yl]carbamoyl]-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide?
The canonical SMILES for N-[[(2R)-butan-2-yl]carbamoyl]-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide is CC[C@@H](C)NC(=O)NC(=O)CN(Cc1ccccc1F)C1CC1.
What is the InChIKey of N-[[(2R)-butan-2-yl]carbamoyl]-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide?
The InChIKey is XDBAPPDVKYSIIY-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-3-12(2)19-17(23)20-16(22)11-21(14-8-9-14)10-13-6-4-5-7-15(13)18/h4-7,12,14H,3,8-11H2,1-2H3,(H2,19,20,22,23)/t12-/m1/s1.
What are the key properties of N-[[(2R)-butan-2-yl]carbamoyl]-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide?
N-[[(2R)-butan-2-yl]carbamoyl]-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide has a molecular weight of 321.40 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-butan-2-yl]carbamoyl]-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide is sourced from PubChem (CID 8978259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).